5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide

C16H17FN6O2 — CID 143779921

IUPAC5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(-c2cnn3ccc(OC)cc23)nc1NCCO
InChIInChI=1S/C16H17FN6O2/c1-25-9-2-4-23-13(6-9)11(8-21-23)14-12(17)7-10(15(18)19)16(22-14)20-3-5-24/h2,4,6-8,24H,3,5H2,1H3,(H3,18,19)(H,20,22)
InChIKeyHNMVIQFEFFTOHN-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.23
Rot. Bonds6

About 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide

5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide (PubChem CID 143779921) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide
PubChem CID143779921
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(-c2cnn3ccc(OC)cc23)nc1NCCO
InChIInChI=1S/C16H17FN6O2/c1-25-9-2-4-23-13(6-9)11(8-21-23)14-12(17)7-10(15(18)19)16(22-14)20-3-5-24/h2,4,6-8,24H,3,5H2,1H3,(H3,18,19)(H,20,22)
InChIKeyHNMVIQFEFFTOHN-UHFFFAOYSA-N
XLogP1.23
TPSA121.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide?
The IUPAC name of 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide (CID 143779921) is 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide?
The canonical SMILES for 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1cc(F)c(-c2cnn3ccc(OC)cc23)nc1NCCO.
What is the InChIKey of 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide?
The InChIKey is HNMVIQFEFFTOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c1-25-9-2-4-23-13(6-9)11(8-21-23)14-12(17)7-10(15(18)19)16(22-14)20-3-5-24/h2,4,6-8,24H,3,5H2,1H3,(H3,18,19)(H,20,22).
What are the key properties of 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide?
5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide has a molecular weight of 344.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 143779921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).